Structure Database (LMSD)

Common Name
Octacosyl-palmitate
Systematic Name
octacosyl hexadecanoate
Synonyms
  • WE(28:0/16:0)
LM ID
LMFA07010013
Status
Active
Exact Mass
Calculate m/z
648.67843
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
DUUVLSQFLIAPFQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C44H88O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-16-14-12-10-8-6-4-2/h3-43H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC

References

Reference
Sample preparation methods for beeswax characterization by gas chromatography with flame ionization detection
J.J. Jimenez, J.L. Bernal, M.J. del Nozal, M.T. Martin and J. Bernal
Journal of Chromatography A
Volume 1129, Issue 2, 6 (2006), Pages 262-272

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Apis mellifera (#7460)
Insecta (#50557)
Sample preparation methods for beeswax characterization by gas chromatography with flame ionization detection.,
J Chromatogr A, 2006
Pubmed ID: 16854423

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 0
Aromatic Rings 0
Rotatable Bonds 42
Van der Waals Molecular Volume 784.70
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 16.46
Molar Refractivity 207.48

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Updated at
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